CID 135666504

Trioximinopropane

Structural Information

Molecular Formula
C3H5N3O3
SMILES
C(=N/O)\C(=NO)/C=N/O
InChI
InChI=1S/C3H5N3O3/c7-4-1-3(6-9)2-5-8/h1-2,7-9H/b4-1+,5-2+
InChIKey
NBADLTRRAFIGAE-GRSRPBPQSA-N
Compound name
N-[(1E,3E)-1,3-bis(hydroxyimino)propan-2-ylidene]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

131.0331 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.04038 121.5
[M+Na]+ 154.02232 128.1
[M-H]- 130.02582 122.3
[M+NH4]+ 149.06692 142.3
[M+K]+ 169.99626 128.5
[M+H-H2O]+ 114.03036 115.8
[M+HCOO]- 176.03130 149.6
[M+CH3COO]- 190.04695 175.1
[M+Na-2H]- 152.00777 129.5
[M]+ 131.03255 120.4
[M]- 131.03365 120.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.